CID 22913746

C28H45F2OSi — CID 22913746

IUPAC—
SMILESCCCCC[Si]1CCC(C2CCC(CCCCc3ccc(OCCF)c(F)c3)CC2)CC1
InChIInChI=1S/C28H45F2OSi/c1-2-3-6-19-32-20-15-26(16-21-32)25-12-9-23(10-13-25)7-4-5-8-24-11-14-28(27(30)22-24)31-18-17-29/h11,14,22-23,25-26H,2-10,12-13,15-21H2,1H3
InChIKeyBQLSWUPRGLCWSA-UHFFFAOYSA-N
MW463.75 g/mol
LogP8.79
Rot. Bonds13

About CID 22913746

CID 22913746 (PubChem CID 22913746) has the molecular formula C28H45F2OSi and a molecular weight of 463.75 g/mol.

Molecular Properties

Compound NameCID 22913746
PubChem CID22913746
Molecular FormulaC28H45F2OSi
Molecular Weight463.75 g/mol
Exact Mass463.32
IUPAC Name—
SMILESCCCCC[Si]1CCC(C2CCC(CCCCc3ccc(OCCF)c(F)c3)CC2)CC1
InChIInChI=1S/C28H45F2OSi/c1-2-3-6-19-32-20-15-26(16-21-32)25-12-9-23(10-13-25)7-4-5-8-24-11-14-28(27(30)22-24)31-18-17-29/h11,14,22-23,25-26H,2-10,12-13,15-21H2,1H3
InChIKeyBQLSWUPRGLCWSA-UHFFFAOYSA-N
XLogP8.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.75
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-[(4-pentylcyclohexyl)methoxy]-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19008189
1-butoxy-2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988273
CID 22913907
CID 22913907
CID 23364777
CID 23364777
CID 23364825
CID 23364825
CID 22913919
CID 22913919
CID 23364828
CID 23364828
2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
CID 140976267
[4-[2-(4-butylcyclohexyl)ethyl]-2-fluorophenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 54337985
[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 88997781
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441

Frequently Asked Questions

What is the IUPAC name of CID 22913746?
The IUPAC name of CID 22913746 (CID 22913746) is not available.
What is the SMILES notation for CID 22913746?
The canonical SMILES for CID 22913746 is CCCCC[Si]1CCC(C2CCC(CCCCc3ccc(OCCF)c(F)c3)CC2)CC1.
What is the InChIKey of CID 22913746?
The InChIKey is BQLSWUPRGLCWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45F2OSi/c1-2-3-6-19-32-20-15-26(16-21-32)25-12-9-23(10-13-25)7-4-5-8-24-11-14-28(27(30)22-24)31-18-17-29/h11,14,22-23,25-26H,2-10,12-13,15-21H2,1H3.
What are the key properties of CID 22913746?
CID 22913746 has a molecular weight of 463.75 g/mol, XLogP of 8.79, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22913746 is sourced from PubChem (CID 22913746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).